Information card for entry 1553491

Structure parameters

• Common name: 2PdNAmX-1
• Formula: C61 H45 Cl3 N4 O4 Pd2
• Calculated formula: C61 H45 Cl3 N4 O4 Pd2
• SMILES: [Pd]123Oc4c5c(ccc4C=[N]2Cc2cc(ccc2)C[N]2[Pd]4(Oc6c(ccc7ccccc67)C=[N]4Cc4cc(C[N]3=Cc3c(c6c(cc3)cccc6)O1)ccc4)Oc1c3c(ccc1C=2)cccc3)cccc5.ClC(Cl)Cl
• Title of publication: Homochiral association of binuclear trans-bis(β-iminoaryloxy)palladium(ii) complexes doubly linked with m-xylylene spacers: drastic linker-dependence of the association chirality of chiral clothespin-shaped molecules
• Authors of publication: Naito, Masaya; Komiya, Naruyoshi; Naota, Takeshi
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 1286
• a: 27.6181 ± 0.0017 Å
• b: 13.0551 ± 0.0009 Å
• c: 30.802 ± 0.002 Å
• α: 90°
• β: 113.65 ± 0.0017°
• γ: 90°
• Cell volume: 10173.2 ± 1.2 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No